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Journal of Computational Chemistry|June 25, 2010
Branch migration of Holliday junction in RuvA tetramer complex studied by umbrella sampling simulation using a path-search algorithmHisashi IshidaJournal of Computational Chemistry|July 27, 2010
Interaction identification of Zif268 and TATA(ZF) proteins with GC-/AT-rich DNA sequence: A theoretical studyBo Yang, Yanyan Zhu, Yan Wang, et al.Journal of Computational Chemistry|August 31, 2010
Time-dependent density functional theory study on the absorption spectrum of Coumarin 102 and its hydrogen-bonded complexesWenwei Zhao, Yihong Ding, Qiying XiaJournal of Computational Chemistry|August 27, 2010
Ab initio and quantum chemical topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCTSlawomir Berski, Zdzislaw Latajka, Agnieszka J GordonJournal of Computational Chemistry|August 27, 2010
Time-dependent quantum study of H(2S) + FO(2Pi) --> OH(2Pi) + F(2P) reaction on the 1(3)A' and 1(3)A'' statesFahrettin Gogtas, Rukiye Tutuk, Mustafa KurbanJournal of Computational Chemistry|August 27, 2010
Chemical reactivity predictions: use of data mining techniques for analyzing regioselective azidolysis of epoxidesAlice Borghini, Paolo Crotti, Daniele Pietra, et al.Journal of Computational Chemistry|August 25, 2010
Quality of random number generators significantly affects results of Monte Carlo simulations for organic and biological systemsTimothy H Click, Aibing Liu, George A KaminskiJournal of Computational Chemistry|August 24, 2010
Effect of ligand binding on the intraminimum dynamics of proteinsBurak Alakent, Sena Baskan, Pemra DorukerJournal of Computational Chemistry|August 24, 2010
Density functional theory investigation of Cu(I)- and Cu(II)-curcumin complexesMatthew A Addicoat, Gregory F Metha, Tak W KeeJournal of Computational Chemistry|July 8, 2010
Homology modeling and molecular dynamics simulation studies of human type 1 3β-hydroxysteroid dehydrogenase: Toward the understanding of cofactor specificityYongbing Zhao, Jingfa XiaoPageof 598